smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[C@@H](O[P@H](=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000026505410	563032884	/nfs/dbraw/zinc/03/28/84/563032884.db2.gz	PPHMVRBCABAKLJ-JKSUJKDBSA-N	-1	1	429.410	3.022	1	5		IGBFMM
O=C(Cn1cc(COc2ccc(Br)cc2[N+](=O)[O-])nn1)c1ccc([O-])cc1	ZINC000061931049	563150789	/nfs/dbraw/zinc/15/07/89/563150789.db2.gz	SLMHJDKNQQQCAH-UHFFFAOYSA-N	-1	1	433.218	3.116	3	5		IGBFMM
COc1ccc(-c2oc3c(OC)c(OC)c(OC)c(=O)c-3c([O-])c2OC)cc1[N+](=O)[O-]	ZINC000066101629	563158421	/nfs/dbraw/zinc/15/84/21/563158421.db2.gz	MVNFEQKKJCGVJE-UHFFFAOYSA-N	-1	1	433.369	3.117	1	5		IGBFMM
COc1ccc(-c2oc3c(OC)c(OC)c(OC)c([O-])c3c(=O)c2OC)cc1[N+](=O)[O-]	ZINC000066101629	563158423	/nfs/dbraw/zinc/15/84/23/563158423.db2.gz	MVNFEQKKJCGVJE-UHFFFAOYSA-N	-1	1	433.369	3.117	1	5		IGBFMM
COc1ccc2c(c1-c1cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc1N)OCO2	ZINC000035000915	563088681	/nfs/dbraw/zinc/08/86/81/563088681.db2.gz	AVVYRTOLEBREDE-UHFFFAOYSA-N	-1	1	443.437	3.382	1	5		IGBFMM
COc1c(O)cc2oc3cc([O-])c(CC=C(C)C)c(O)c3c(=O)c2c1C[C@@H](O)C(C)(C)O	ZINC000014727636	291357220	/nfs/dbraw/zinc/35/72/20/291357220.db2.gz	GRTNCNHXAJFUAQ-GOSISDBHSA-N	-1	1	444.480	3.255	1	5	biogenic,in-vitro	IGBFMM
COc1c([O-])cc2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)C)[C@@H](O)[C@@H](C(C)(C)O)O4	ZINC000014586284	291357437	/nfs/dbraw/zinc/35/74/37/291357437.db2.gz	INYICHQLUHYLEX-GGAORHGYSA-N	-1	1	442.464	3.440	1	5	biogenic,in-vitro	IGBFMM
CCCC[C@H](O[P@H](=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000026568436	563033158	/nfs/dbraw/zinc/03/31/58/563033158.db2.gz	PPHMVRBCABAKLJ-HOTGVXAUSA-N	-1	1	429.410	3.022	1	5		IGBFMM